CID 4321482

1-ethoxy-4-(phenylazo)naphthalene

Structural Information

Molecular Formula
C18H16N2O
SMILES
CCOC1=CC=C(C2=CC=CC=C21)N=NC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O/c1-2-21-18-13-12-17(15-10-6-7-11-16(15)18)20-19-14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKey
DEVHJQBEBOZDPX-UHFFFAOYSA-N
Compound name
(4-ethoxynaphthalen-1-yl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 162.3
[M+Na]+ 299.115468 169.8
[M-H]- 275.118974 172.4
[M+NH4]+ 294.160073 179.9
[M+K]+ 315.089408 165.9
[M+H-H2O]+ 259.123510 152.9
[M+HCOO]- 321.124451 190.5
[M+CH3COO]- 335.140101 175.3
[M+Na-2H]- 297.100916 171.6
[M]+ 276.12570142 165.0
[M]- 276.12679858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.